6N5U

Crystal structure of Arabidopsis thaliana ScoI with copper bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-10
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967700
Spacegroup name	P 1 21 1
Unit cell lengths	53.650, 80.440, 72.310
Unit cell angles	90.00, 94.75, 90.00

Refinement procedure

Resolution	44.750 - 2.660
R-factor	0.19
Rwork	0.187
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ggt
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.750	2.790
High resolution limit [Å]	2.660	2.660
Rmerge	0.068	0.327
Rmeas	0.085	0.408
Rpim	0.050	0.240
Number of reflections	17555	2355
<I/σ(I)>	5.7	1.5
Completeness [%]	99.0	99.6
Redundancy	2.9	2.9
CC(1/2)	0.996	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	100 mM Hepes pH 7.5, 23 % w/v PEG 3350, 10 % v/v Tacsimate